4-naphthalen-2-yl-2-(3-naphthalen-2-yldibenzothiophen-1-yl)quinazoline

C40H24N2S — CID 174328544

IUPAC4-naphthalen-2-yl-2-(3-naphthalen-2-yldibenzothiophen-1-yl)quinazoline
SMILESc1ccc2cc(-c3cc(-c4nc(-c5ccc6ccccc6c5)c5ccccc5n4)c4c(c3)sc3ccccc34)ccc2c1
InChIInChI=1S/C40H24N2S/c1-3-11-27-21-29(19-17-25(27)9-1)31-23-34(38-33-14-6-8-16-36(33)43-37(38)24-31)40-41-35-15-7-5-13-32(35)39(42-40)30-20-18-26-10-2-4-12-28(26)22-30/h1-24H
InChIKeyPMKQASHJOVTXKQ-UHFFFAOYSA-N
MW564.71 g/mol
LogP11.31
Rot. Bonds3

About 4-naphthalen-2-yl-2-(3-naphthalen-2-yldibenzothiophen-1-yl)quinazoline

4-naphthalen-2-yl-2-(3-naphthalen-2-yldibenzothiophen-1-yl)quinazoline (PubChem CID 174328544) has the molecular formula C40H24N2S and a molecular weight of 564.71 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-(3-naphthalen-2-yldibenzothiophen-1-yl)quinazoline.

Molecular Properties

Compound Name4-naphthalen-2-yl-2-(3-naphthalen-2-yldibenzothiophen-1-yl)quinazoline
PubChem CID174328544
Molecular FormulaC40H24N2S
Molecular Weight564.71 g/mol
Exact Mass564.17
IUPAC Name4-naphthalen-2-yl-2-(3-naphthalen-2-yldibenzothiophen-1-yl)quinazoline
SMILESc1ccc2cc(-c3cc(-c4nc(-c5ccc6ccccc6c5)c5ccccc5n4)c4c(c3)sc3ccccc34)ccc2c1
InChIInChI=1S/C40H24N2S/c1-3-11-27-21-29(19-17-25(27)9-1)31-23-34(38-33-14-6-8-16-36(33)43-37(38)24-31)40-41-35-15-7-5-13-32(35)39(42-40)30-20-18-26-10-2-4-12-28(26)22-30/h1-24H
InChIKeyPMKQASHJOVTXKQ-UHFFFAOYSA-N
XLogP11.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.71
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-naphthalen-2-yl-2-(1-naphthalen-2-yldibenzothiophen-3-yl)quinazoline
CID 174328845
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 174328334
2-naphthalen-2-yl-4-[4-(1-phenyldibenzothiophen-3-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174328770
2-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzothiophen-3-yl)-6-(4-naphthalen-2-ylphenyl)pyrimidine
CID 174328840
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 174328436
2-(4-naphtho[2,1-b][1]benzothiol-2-ylnaphthalen-1-yl)-4-phenylquinazoline
CID 155474193
2-(1-phenanthren-2-yldibenzothiophen-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 174328600
2-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]-1,3-benzothiazole
CID 163592930
2,4-diphenyl-6-[3-(23-thiahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-5-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-(23-thiahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-5-yl)-1,3,5-triazine;4-phenyl-2-(23-thiahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-5-yl)quinazoline
CID 159725085
2-phenyl-4-[4-(1-phenyldibenzothiophen-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850299
2-(4-dibenzothiophen-3-ylphenyl)-4-(5-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172509468
4-naphthalen-2-yl-2-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)quinazoline
CID 167402970

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2-(3-naphthalen-2-yldibenzothiophen-1-yl)quinazoline?
The IUPAC name of 4-naphthalen-2-yl-2-(3-naphthalen-2-yldibenzothiophen-1-yl)quinazoline (CID 174328544) is 4-naphthalen-2-yl-2-(3-naphthalen-2-yldibenzothiophen-1-yl)quinazoline.
What is the SMILES notation for 4-naphthalen-2-yl-2-(3-naphthalen-2-yldibenzothiophen-1-yl)quinazoline?
The canonical SMILES for 4-naphthalen-2-yl-2-(3-naphthalen-2-yldibenzothiophen-1-yl)quinazoline is c1ccc2cc(-c3cc(-c4nc(-c5ccc6ccccc6c5)c5ccccc5n4)c4c(c3)sc3ccccc34)ccc2c1.
What is the InChIKey of 4-naphthalen-2-yl-2-(3-naphthalen-2-yldibenzothiophen-1-yl)quinazoline?
The InChIKey is PMKQASHJOVTXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2S/c1-3-11-27-21-29(19-17-25(27)9-1)31-23-34(38-33-14-6-8-16-36(33)43-37(38)24-31)40-41-35-15-7-5-13-32(35)39(42-40)30-20-18-26-10-2-4-12-28(26)22-30/h1-24H.
What are the key properties of 4-naphthalen-2-yl-2-(3-naphthalen-2-yldibenzothiophen-1-yl)quinazoline?
4-naphthalen-2-yl-2-(3-naphthalen-2-yldibenzothiophen-1-yl)quinazoline has a molecular weight of 564.71 g/mol, XLogP of 11.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-2-(3-naphthalen-2-yldibenzothiophen-1-yl)quinazoline is sourced from PubChem (CID 174328544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).